methyl (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O3S/c1-4-13(2)17(19(24)26-3)22-20(25)23-11-9-14(10-12-23)18-21-15-7-5-6-8-16(15)27-18/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,25)/t13-,17+/m1/s1